(R)-(3-nitrophenyl)-piperidin-4-ylmethanamine

C12H17N3O2 — CID 171314060

IUPAC(R)-(3-nitrophenyl)-piperidin-4-ylmethanamine
SMILESN[C@@H](c1cccc([N+](=O)[O-])c1)C1CCNCC1
InChIInChI=1S/C12H17N3O2/c13-12(9-4-6-14-7-5-9)10-2-1-3-11(8-10)15(16)17/h1-3,8-9,12,14H,4-7,13H2/t12-/m1/s1
InChIKeyRTBPFHLRRRDVJM-GFCCVEGCSA-N
MW235.29 g/mol
LogP1.59
Rot. Bonds3

About (R)-(3-nitrophenyl)-piperidin-4-ylmethanamine

(R)-(3-nitrophenyl)-piperidin-4-ylmethanamine (PubChem CID 171314060) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (R)-(3-nitrophenyl)-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name(R)-(3-nitrophenyl)-piperidin-4-ylmethanamine
PubChem CID171314060
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(R)-(3-nitrophenyl)-piperidin-4-ylmethanamine
SMILESN[C@@H](c1cccc([N+](=O)[O-])c1)C1CCNCC1
InChIInChI=1S/C12H17N3O2/c13-12(9-4-6-14-7-5-9)10-2-1-3-11(8-10)15(16)17/h1-3,8-9,12,14H,4-7,13H2/t12-/m1/s1
InChIKeyRTBPFHLRRRDVJM-GFCCVEGCSA-N
XLogP1.59
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(S)-cyclopentyl-(3-nitrophenyl)methanamine
CID 131494278
(S)-cyclobutyl-(3-nitrophenyl)methanamine
CID 131565332
(R)-cyclopentyl-(3-nitrophenyl)methanamine
CID 130054477
(R)-cyclobutyl-(3-nitrophenyl)methanamine;hydrochloride
CID 171198021
(R)-cyclopentyl-(3-nitrophenyl)methanamine;hydrochloride
CID 171198023
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
(R)-(4-chloro-3-nitrophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314399
3-[(R)-amino(piperidin-4-yl)methyl]phenol;hydrochloride
CID 171314082
N-methyl-1-(3-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79708382
N,N-diethyl-4-[(3-nitrophenyl)-piperidin-4-ylmethyl]benzamide
CID 174378766
1-(1-cyclobutylethyl)-3-nitrobenzene
CID 170732279
N-methyl-1-(3-nitrophenyl)-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79698576

Frequently Asked Questions

What is the IUPAC name of (R)-(3-nitrophenyl)-piperidin-4-ylmethanamine?
The IUPAC name of (R)-(3-nitrophenyl)-piperidin-4-ylmethanamine (CID 171314060) is (R)-(3-nitrophenyl)-piperidin-4-ylmethanamine.
What is the SMILES notation for (R)-(3-nitrophenyl)-piperidin-4-ylmethanamine?
The canonical SMILES for (R)-(3-nitrophenyl)-piperidin-4-ylmethanamine is N[C@@H](c1cccc([N+](=O)[O-])c1)C1CCNCC1.
What is the InChIKey of (R)-(3-nitrophenyl)-piperidin-4-ylmethanamine?
The InChIKey is RTBPFHLRRRDVJM-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(9-4-6-14-7-5-9)10-2-1-3-11(8-10)15(16)17/h1-3,8-9,12,14H,4-7,13H2/t12-/m1/s1.
What are the key properties of (R)-(3-nitrophenyl)-piperidin-4-ylmethanamine?
(R)-(3-nitrophenyl)-piperidin-4-ylmethanamine has a molecular weight of 235.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-nitrophenyl)-piperidin-4-ylmethanamine is sourced from PubChem (CID 171314060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).